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alpha-(AMINOMETHYL)-p-HYDROXYBENZYL ALCOHOL
SpectraBase Compound ID KlGvklmTUan
InChI InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2
InChIKey QHGUCRYDKWKLMG-UHFFFAOYSA-N
Mol Weight 153.18 g/mol
Molecular Formula C8H11NO2
Exact Mass 153.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1qzoIXycEK
Name Octopamine
CAS Registry Number 104-14-3
Classification Sympathomimetic
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Exact Mass 153.078978596 u
Formula C8H11NO2
InChI InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2
InChIKey QHGUCRYDKWKLMG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 153.181 g/mol
SMILES c1(ccc(O)cc1)C(O)CN
SPLASH splash10-00fr-9700000000-3035f7bf70811081814b
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_4665